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    Isopropyl Isostearate

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 18Xls

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    2D Structure
    Also known as: 68171-33-5, Isopropyl 16-methylheptadecanoate, Nikkol ipis, 31478-84-9, Wickenol 131, Propan-2-yl 16-methylheptadecanoate
    Molecular Formula
    C21H42O2
    Molecular Weight
    326.6  g/mol
    InChI Key
    NEOZOXKVMDBOSG-UHFFFAOYSA-N
    FDA UNII
    C67IXB9Y7T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yl 16-methylheptadecanoate
    2.1.2 InChI
    InChI=1S/C21H42O2/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(22)23-20(3)4/h19-20H,5-18H2,1-4H3
    2.1.3 InChI Key
    NEOZOXKVMDBOSG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    C67IXB9Y7T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 68171-33-5

    2. Isopropyl 16-methylheptadecanoate

    3. Nikkol Ipis

    4. 31478-84-9

    5. Wickenol 131

    6. Propan-2-yl 16-methylheptadecanoate

    7. Isooctadecanoic Acid, 1-methylethyl Ester

    8. C67ixb9y7t

    9. 2-propyl Isooctadecanoate

    10. Isopropyl Isodecanoate

    11. Isostearic Acid, Isopropyl Ester

    12. 1-methylethyl Isooctadecanoate

    13. Einecs 250-651-1

    14. Isopropylisostearate

    15. Unii-c67ixb9y7t

    16. Einecs 269-023-3

    17. Ipis

    18. Crodamol Ipis

    19. Dermol Ipis

    20. Jeechem Ipis

    21. Nikkol Epis

    22. Unimate Ipis

    23. Matlube Ii

    24. Dub Isip

    25. Isostearic Acid Isopropyl

    26. Schercemol 318

    27. Lanesta 10

    28. Ec 269-023-3

    29. Prisorine 2021

    30. Witconol 2310

    31. Schercemol 318 Ester

    32. Heptadecanoic Acid, 16-methyl-, 1-methylethyl Ester

    33. Isostearic Acid Isopropyl Ester

    34. Prisorine Ipis 2021

    35. Schembl8088310

    36. Aec Isopropyl Isostearate

    37. Dtxsid101015768

    38. I-propyl 16-methyl-heptadecanoate

    39. Isopropyl Isostearate [ii]

    40. Zinc5757999

    41. Isopropyl Isostearate [inci]

    42. Isopropyl Isostearate [usp-rs]

    43. Isopropyl Isostearate [who-dd]

    44. Db-055113

    45. Isopropyl Isostearate [ep Monograph]

    46. Ft-0641164

    47. Q27275243

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 326.6 g/mol
    Molecular Formula C21H42O2
    XLogP39
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count17
    Exact Mass326.318480578 g/mol
    Monoisotopic Mass326.318480578 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity259
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1